SCHEMBL6833832

SCHEMBL6833832

COc1cc(NC(=O)c2sc(N(CC(C)C)C(=O)O)nc2C)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 2/20 0.42
AHR P35869 1/20 0.41
MAPT P10636 10/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
PPARA Q07869 1/20 0.40
P2RX1 P51575 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RUVBL1 Q9Y265 1/20 0.38
KDM4E B2RXH2 4/20 0.38
EPHX2 P34913 1/20 0.38
HTT P42858 1/20 0.38
MDM2 Q00987 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
SAE1 Q9UBE0 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3720592 0.80 MAPT (0.51) TMPRSS4AHRMAPTMEN1KMT2A
SCHEMBL6834770 0.75 CHRNA7 (0.49) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL773675 0.72 LCK (0.59) TMPRSS4AHRMAPTMEN1KMT2A
SCHEMBL6834849 0.72 GAA (0.47) MAPTMEN1KMT2APOLBHTT
SCHEMBL774217 0.69 LCK (0.63) EPHX2
SCHEMBL5142357 0.67 POLB (0.57) TMPRSS4MAPTKMT2APOLBP2RX1
SCHEMBL5031966 0.66 LMNA (0.56) TMPRSS4MAPTKMT2APOLBP2RX1
SCHEMBL4763294 0.65 TMPRSS4 (0.57) TMPRSS4MAPTKMT2APOLBP2RX1
SCHEMBL5608032 0.65 MAPT (0.48) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL5607284 0.65 KMT2A (0.36) MAPTMEN1KMT2APOLBNR1H4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040054186-A1 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-18 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040054186-A1 Cyclic protein tyrosine kinase inhibitors LCK, ABL1, BTK TMPRSS4 2698/4885AHR 4215/4885MAPT 3114/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.